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npj Computational Materials 2021年第1期7卷 1541-1551页

作者： Marco Eckhoff j.rg Behler Universität Göttingen Institut für Physikalische ChemieTheoretische ChemieTammannstrasse 637077 GöttingenGermany Universität Göttingen International Center for Advanced Studies of Energy Conversion(ICASEC)Tammannstrasse 637077 GöttingenGermany

Machine learning potentials have emerged as a powerful tool to extend the time and length scales of first-principles quality ***,most machine learning potentials cannot distinguish different electronic spin arrangements and thus are not applicable to materials in different magnetic *** we propose spin-dependent atom-centered symmetry functions as a type of descriptor taking the atomic spin degrees of freedom into *** used as an input for a high-dimensional neural network potential(HDNNP),accurate potential energy surfaces of multicomponent systems can be constructed,describing multiple collinear magnetic *** demonstrate the performance of these magnetic HDNNPs for the case of manganese oxide,*** method predicts the magnetically distorted rhombohedral structure in excellent agreement with density functional theory and *** efficiency allows to determine the Néel temperature considering structural fluctuations,entropic effects,and *** method is general and is expected to be useful also for other types of systems such as oligonuclear transition metal complexes.

关键词： magnetic symmetry neural

Theory and classification of mass extinction causation

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National Science Review 2024年第1期11卷 16-36页

作者： Thomas j.Algeo jun Shen State Key Laboratory of Biogeology and Environmental Geology China University of Geosciences—Wuhan State Key Laboratory of Geological Processes and Mineral Resources China University of Geosciences—Wuhan Department of Geosciences University of Cincinnati

Theory regarding the causation of mass extinctions is in need of systematization, which is the focus of this contribution. Every mass extinction has both an ultimate cause, i.e. the trigger that leads to various climato-environmental changes, and one or more proximate cause(s), i.e. the specific climato-environmental changes that result in elevated biotic mortality. With regard to ultimate causes, strong cases can be made that bolide(i.e. meteor) impacts, large igneous province(LIP) eruptions and bioevolutionary events have each triggered one or more of the Phanerozoic Big Five mass extinctions, and that tectono-oceanic changes have triggered some second-order extinction events. Apart from bolide impacts, other astronomical triggers(*** flares, gamma bursts and supernova explosions) remain entirely in the realm of speculation. With regard to proximate mechanisms, most extinctions are related to either carbon-release or carbon-burial processes, the former being associated with climatic warming, ocean acidification, reduced marine productivity and lower carbonate δ13C values, and the latter with climatic cooling, increased marine productivity and higher carbonate δ13C values. Environmental parameters such as marine redox conditions and terrestrial weathering intensity do not show consistent relationships with carbon-cycle *** this context, mass extinction causation can be usefully classified using a matrix of ultimate and proximate factors. Among the Big Five mass extinctions, the end-Cretaceous biocrisis is an example of a bolide-triggered carbon-release event, the end-Permian and end-Triassic biocrises are examples of LIP-triggered carbon-release events, and the Late Ordovician and Late Devonian biocrises are examples of bioevolution-triggered carbon-burial events. Whereas the bolide-impact and LIP-eruption mechanisms appear to invariably cause carbon release, bioevolutionary triggers can result in variable carbon-cycle changes, e.g. carbon burial durin

关键词： biocrisis ultimate cause proximate cause bolide large igneous province bioevolutionary event

Arsenic removal from water and soils using pristine and modified biochars

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Biochar 2022年第1期4卷 255-280页

作者： Wei Zhang Yoora Cho Meththika Vithanage Sabry M.Shaheen j.rg rinklebe Daniel S.Alessi Chia-Hung Hou Yohey Hashimoto Piumi Amasha Withana Yong Sik Ok Korea Biochar Research Center APRU Sustainable Waste Management and Division of Environmental Science and Ecological EngineeringKorea UniversitySeoul 02841South Korea School of Environmental Science and Engineering Guangzhou UniversityGuangzhou 510006China Ecosphere Resilience Research Center Faculty of Applied SciencesUniversity of Sri JayewardenepuraNugegoda 10250Sri Lanka Sustainability Cluster University of Petroleum and Energy StudiesUttarkhandDehradunIndia The Institute of Agriculture The University of Western AustraliaCrawleyAustralia School of Architecture and Civil Engineering Institute of Foundation EngineeringWater-and Waste-ManagementLaboratory of Soil-and Groundwater-ManagementUniversity of WuppertalPauluskirchstraße742285 WuppertalGermany Department of Earth and Atmospheric Sciences University of AlbertaEdmontonAB T6G 2E3Canada Graduate Institute of Environmental Engineering National Taiwan UniversityTaipei 10617TaiwanChina Department of Bioapplications and Systems Engineering Tokyo University of Agriculture and TechnologyTokyoJapan Department of Arid Land Agriculture Faculty of MeteorologyEnvironmentand Arid Land AgricultureKing Abdulaziz University21589 JeddahSaudi Arabia Department of Soil and Water Sciences Faculty of AgricultureUniversity of Kafrelsheikh33516 Kafr El-SheikhEgypt

Arsenic(As)is recognized as a persistent and toxic contaminant in the environment that is harmful to ***,a porous carbonaceous material with tunable functionality,has been used widely as an adsorbent for remediating As-contaminated water and *** types of pristine and modified biochar are available,and significant efforts have been made toward modifying the surface of biochars to increase their adsorption capacity for *** capacity is influenced by multiple factors,including biomass pyrolysis temperature,pH,the presence of dissolved organic carbon,surface charge,and the presence of phosphate,silicate,sulfate,and microbial *** As adsorption in modified biochars is attributed to several mechanisms including surface complexation/precipitation,ion exchange,oxidation,reduction,electrostatic interactions,and surface functional groups that have a relatively higher affinity for *** biochars show promise for As adsorption;however,further research is required to improve the performance of these *** example,modified biochars must be eco-friendly,cost-effective,reliable,efficient,and sustainable to ensure their widespread application for immobilizing As in contaminated water and *** relevant research to address these issues relies on a thorough understanding of biochar modifications to *** study presents an in-depth review of pristine and modified biochars,including their production,physicochemical properties,and As adsorption ***,a comprehensive evaluation of biochar applications is provided in As-contaminated environments as a guide for selecting suitable biochars for As removal in the field.

关键词： Engineered biochar Removal mechanisms Arsenic pollution Water pollution Soil pollution

In situ characterization of particle formation in spray flame synthesis using wide-angle light scattering

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Particuology 2024年第3期86卷 304-312页

作者： Simon Aβmann Franz j.T.Huber Stefan Will Lehrstuhl für Technische Thermodynamik(LTT) Friedrich-Alexander-Universitat Erlangen-Nürnberg(FAU)Erlangen91058Germany Erlangen Graduate Schoolin Advanced Optical Technologies(SAOT) Friedrich-Alexander-Universitat Erlangen-Nurnberg(FAU)Erlangen91052Germany Competence Unit Engineering of Advanced Materials(EAM) Friedrich-Alexander-Universitat Erlangen-Nürnberg(FAU)Erlangen91052Germany

Wide-angle light scattering(WALS)was used for in situ measurements of droplet and nanoparticle size distributions during the synthesis of titania and iron oxide particles from liquid precursor solutions in the standardized SpraySyn burner for spray flame *** was synthesized from titanium tetraisopropoxide(TTIP)and iron oxide from iron(II)nitrate nonahydrate(INN)using ethanol(EtOH)as *** images were taken at heights up to 120 mm above the burner surface and classified into droplet and particle *** size distributions were derived from a sequential analysis of scattering data containing the oscillating Mie pattern,the lognormal size distribution parameters for spherical and fractal particle fractions from a multivariate approach on averaged particle scattering *** results show that the precursor addition leads to altered evaporation behavior and even droplet disruption probably induced by puffing or micro-explosions compared to pure *** the case of TTIP(a hygroscopic alkoxide),the synthesis of a large fraction of spheres was observed,while the nitrate INN leads to the formation of mostly fractal aggregates.

关键词： Spray flame synthesis Metal oxide particles Elastic light scattering Droplet size distribution Nanoparticle morphology Particle size distribution

Kinetics of glyphosate and aminomethylphosphonic acid sorption onto montmorillonite clays in soil and their translocation to genetically modified corn

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journal of Environmental Sciences 2024年第1期135卷 669-680页

作者： Meichen Wang Kelly j Rivenbark Timothy D Phillips Veterinary Physiology and Pharmacology College of Veterinary Medicine and Biomedical SciencesTexas A&M UniversityTX 77845USA

The co-occurrence of glyphosate(GLP)and aminomethylphosphonic acid(AMPA)in contaminated water,soil,sediment and plants is a cause for concern due to potential threats to the ecosystem and human health.A major route of exposure is through contact with contaminated soil and consumption of crops containing GLP and AMPA ***,clay-based sorption strategies for mixtures of GLP and AMPA in soil,plants and garden produce have been very *** this study,in vitro soil and in vivo genetically modified corn models were used to establish the proof of concept that the inclusion of clay sorbents in contaminated soils will reduce the bioavailability of GLP and AMPA in soils and their adverse effects on plant *** of chemical concentration(1–10 mg/kg),sorbent dose(0.5%-3%in soil and 0.5%-1%in plants)and duration(up to 28 days)on sorption kinetics were *** time course results showed a continuous GLP degradation to *** inclusion of calcium montmorillonite(CM)and acid processed montmorillonite(APM)clays at all doses significantly and consistently reduced the bioavailability of both chemicals from soils to plant roots and leaves in a dose-and time-dependent manner without detectable *** treated with 0.5%and 1%APM inclusion showed the highest growth rate(p≤0.05)and lowest chemical bioavailability with up to 76%reduction in roots and57%reduction in *** indicated that montmorillonite clays could be added as soil supplements to reduce hazardous mixtures of GLP and AMPA in soils and plants.

关键词： Glyphosate AMPA Adsorption Soil remediation Plant Hydroponic system

Surface Modification Aspects for Improving Biomedical Properties in Implants:A Review

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Acta Metallurgica Sinica(English Letters) 2024年第2期37卷 213-241页

作者： j.Sharath Kumar Rakesh Kumar Rajeev Verma Industrial and Production Department Dr B R Ambedkar National Institute of Technology JalandharJalandharPunjab144008India

The primary focus during surgery is to ensure successful implantation by achieving long-term and stable fixation of *** surgery is now more focused on the development of novel biomaterials intended to improve implant *** obtain a better understanding of metal implants,this article investigated the causes of material failures in certain cases and analysed a few case *** interaction between the implant and bone tissue was a crucial aspect of successful implantation,and this study explored the factors influencing this interaction as well as ways to improve *** modern approaches used for modifying implant surfaces were systematically illustrated and briefly *** spray coatings were often favoured because of their wide range of coating materials,but other substantial surface modifications(such as friction stir processing and laser surface texturing)were also used for a selection of ***,implant surfaces with desirable features,such as biocompatibility,antibacterial properties,corrosion resistance,and wear resistance,were essential for optimising implant *** systematic review's main aim is to provide exhaustive reference information and a broad overview to advance the production and design of orthopaedic implants.

关键词： Biomaterials Surface treatments Thermal spray coatings Antibacterial Biocompatibility Corrosion resistance Wear resistance

Refining safety considerations for intradialytic blood flow restriction exercise. Commentary on “Concerns on the application of blood-flow restriction resistance exercise and thrombosis risk in hemodialysis patients”

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journal of Sport and Health Science 2024年第4期13卷 455-456页

作者： Matthew j.Clarkson Institute for Health and Sport Victoria UniversityMelbourneVIC 8001Australia

I read with great interest the article“Concerns on the application of blood flow restriction resistance exercise and thrombosis risk in hemodialysis patients”by Correa et al.1 The study presents complementary data from a previous randomized controlled trial,2 exploring the application of intradialytic blood flow restriction exercise for hemodialysis patients.

关键词： patients hemodialysis

Development of ^(18)F-labeled radiotracers for neuroreceptor imaging with positron emission tomography

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Neuroscience Bulletin 2014年第5期30卷 777-811页

作者： Peter Brust j.rg van den Hoff j.rg Steinbach Helmholtz-Zentrum Dresden-Rossendorf Institute of Radiopharmaceutical Cancer ResearchPermoserstrasse 15Leipzig04318Germany

Positron emission tomography （PET） is an in vivo molecular imaging tool which is widely used in nuclear medicine for early diagnosis and treatment follow-up of many brain diseases. PET uses biomolecules as probes which are labeled with radionuclides of short half-lives, synthesized prior to the imaging studies. These probes are called radiotracers. Fluorine-18 is a radionuclide routinely used in the radiolabeling of neuroreceptor ligands for PET because of its favorable half-life of 109.8 min. The delivery of such radiotracers into the brain provides images of transport, metabolic, and neurotransmission processes on the molecular level. After a short introduction into the principles of PET, this review mainly focuses on the strategy of radiotracer development bridging from basic science to biomedical application. Successful radiotracer design as described here provides molecular probes which not only are useful for imaging of human brain diseases, but also allow molecular neuroreceptor imaging studies in various small-animal models of disease, including genetically- engineered animals. Furthermore, they provide a powerful tool for in vivo pharmacology during the process of pre-clinical drug development to identify new drug targets, to investigate pathophysiology, to discover potential drug candidates, and to evaluate the pharmacokinetics and pharmacodynamics of drugs in vivo.

关键词： Alzheimer's disease autoradiography blood-brain barrier brain tumor cholinergic system kinetic modeling metabolism molecular imaging neurodegeneration positron emission tomography precursor psychiatric disorder radiotracer sigma receptor

Universal Hyperthermal Model for Mass Extinctions

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journal of Earth Science 2024年第2期35卷 704-707页

作者： Michael j.Benton Paleobiology Research Group School of Earth SciencesUniversity of BristolLife Sciences BuildingTyndall AvenueBristolBS81TQUK

INTRODUCTION Earth scientists have long sought universal features of past extinction *** can be argued that each past extinction event was a singularity,caused by combinations of circumstances that are unique in each case,and therefore that the search for common causes is ***,a key feature of the uniformitarian approach to geology is that past processes are the same as modern-day processes and,with that in mind,earth scientists are keen to use their knowledge to contribute some understanding to the study of the present and future climate crisis.

关键词： extinction singularity Extinction

Response of microbial communities to biochar-amended soils:a critical review

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Biochar 2019年第1期1卷 3-22页

作者： Kumuduni Niroshika Palansooriya james Tsz Fung Wong Yohey Hashimoto Longbin Huang j.rg rinklebe Scott X.Chang Nanthi Bolan Hailong Wang Yong Sik Ok Korea Biochar Research Center O-Jeong Eco-Resilience Institute(OJERI)Division of Environmental Science and Ecological EngineeringKorea UniversitySeoul 02841Republic of Korea Department of Civil and Environmental Engineering The Hong Kong University of Science and TechnologyHong Kong SARChina Department of Bioapplications and Systems Engineering Tokyo University of Agriculture and TechnologyTokyoJapan Environment Centres Sustainable Minerals InstituteThe University of QueenslandBrisbaneQLD 4072Australia Laboratory of Soil-and Groundwater-Management School of Architecture and Civil EngineeringInstitute of Foundation Engineering and Water and-Waste ManagementUniversity of WuppertalPauluskirchstraße 742285 WuppertalGermany Department of Environment Energy and GeoinformaticsSejong UniversitySeoul 05006Republic of Korea Department of Renewable Resources University of AlbertaEdmontonAB T6G 2E3Canada Global Centre for Environmental Remediation University of NewcastleCallaghanNSW 2308Australia School of Environmental and Chemical Engineering Foshan UniversityFoshan 528000GuangdongChina Key Laboratory of Soil Contamination Bioremediation of Zhejiang Province Zhejiang A&F University

Application of biochar to soils changes soil physicochemical properties and stimulates the activities of soil microorganisms that influence soil quality and plant *** the response of soil microbial communities to biochar amendments is important for better understanding interactions of biochar with soil,as well as ***,the effect of biochar on soil microorganisms has received less attention than its influences on soil physicochemical *** this review,the following key questions are discussed:(i)how does biochar affect soil microbial activities,in particular soil carbon(C)mineralization,nutrient cycling,and enzyme activities?(ii)how do microorganisms respond to biochar amendment in contaminated soils?and(iii)what is the role of biochar as a growth promoter for soil microorganisms?Many studies have demonstrated that biochar-soil application enhances the soil microbial biomass with substantial changes in microbial community *** amendment changes microbial habitats,directly or indirectly affects microbial metabolic activities,and modifies the soil microbial community in terms of their diversity and ***,chemical properties of biochar,(especially pH and nutrient content),and physical properties such as pore size,pore volume,and specific surface area play significant roles in determining the efficacy of biochar on microbial performance as biochar provides suitable habitats for *** mode of action of biochar leading to stimulation of microbial activities is complex and is influenced by the nature of biochar as well as soil conditions.

关键词： Carbon cycling Microbial habitat Microorganisms Nutrient cycling Enzyme activity